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252873-46-4 molecular structure
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3-phenoxybenzene-1-sulfonyl chloride

ChemBase ID: 76107
Molecular Formular: C12H9ClO3S
Molecular Mass: 268.71606
Monoisotopic Mass: 267.99609283
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cccc(c1)Oc1ccccc1)Cl
Canonical SMILES:
ClS(=O)(=O)c1cccc(c1)Oc1ccccc1
InChI:
InChI=1S/C12H9ClO3S/c13-17(14,15)12-8-4-7-11(9-12)16-10-5-2-1-3-6-10/h1-9H
InChIKey:
JXJUPXKGJUPDHK-UHFFFAOYSA-N

Cite this record

CBID:76107 http://www.chembase.cn/molecule-76107.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-phenoxybenzene-1-sulfonyl chloride
IUPAC Traditional name
3-phenoxybenzenesulfonyl chloride
Synonyms
3-(Chlorosulphonyl)diphenyl ether
3-Phenoxybenzenesulphonyl chloride
CAS Number
252873-46-4
MDL Number
MFCD02089483
PubChem SID
162041022
PubChem CID
2760338

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR12558 external link Add to cart Please log in.
Data Source Data ID
PubChem 2760338 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.419836  LogD (pH = 7.4) 3.419836 
Log P 3.419836  Molar Refractivity 66.493 cm3
Polarizability 26.69316 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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